0 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.35 O=C1N[C@H](C(=O)O)CS1 T5365 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.7 O=C(O)C1CSCN1 T0221 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.7 O=C(O)C1CSSC1 T10388 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,0,0,0|0,0,1]=2 8 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [1,0,0,0,0,0|0,0,1]=2 9 B8R1.7 O=C(O)[C@@H]1CSCN1 T4292 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [1,0,0,0,0,0|0,0,1]=2 11 B8R0.8 CCCCC(O)C(=O)O T5224 [0,0,1,0,0,0|2,0,1]=4 12 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,0,1,0,0,0|1,0,1]=3 13 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,0,1,0,0,0|2,0,0]=3 14 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,0,1,0,0,0|2,0,0]=3 15 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [0,0,1,0,0,0|2,0,0]=3 17 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,0,1,0,0,0|1,0,1]=3 18 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,0,1,0,0,0|1,0,1]=3 19 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,0,1,0,0,0|1,0,1]=3 20 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,0,1,0,0,0|2,0,0]=3 21 B8R0.9 NCC(=O)NCC(=O)O T5286 [0,0,1,0,0,0|1,0,0]=2 22 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,0,1,0,0,0|0,0,0]=1 23 B8R0.23 CC(CC(=O)O)C(=O)O T5231 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.23 C\C(=C/C(=O)O)C(=O)O T20880 [0,0,1,0,0,0|2,0,1]=4 25 B8R0.23 C\C(=C\C(=O)O)C(=O)O T4525 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,0,1,0,0,0|3,0,0]=4 27 B8R0.23 NC(=O)C[C@H](N)C(=O)O T8392 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,0,1,0,0,0|3,0,0]=4 30 B8R0.23 O=C(O)CC(O)C(=O)O T2S0850 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.23 O=C(O)C[C@H](O)C(=O)O T4838 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.28 CC(=O)NCCC(=O)O T1373 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.28 N=C(N)NCCC(=O)O T7535 [0,0,1,0,0,0|2,0,0]=3 34 B8R0.28 NC(=O)NCCC(=O)O T4919 [0,0,1,0,0,0|1,0,0]=2 35 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,0,1,0,0,0|1,0,0]=2 36 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,0,0,0,0,1|1,0,2]=4 37 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 T4038 [0,0,0,0,0,1|1,0,1]=3 38 B7R0.4 NCCCCC(=O)O T5089 [1,0,1,0,0,0|0,0,1]=3 39 B7R0.5 CCCC(C)C(=O)O T5685 [1,0,1,0,0,0|1,0,1]=4 40 B7R0.5 CCCC(N)C(=O)O T11054 [1,0,1,0,0,0|0,0,1]=3 41 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,0,1,0,0,0|0,0,1]=3 42 B7R0.5 CNC[C@H](N)C(=O)O T22911 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.5 CSC[C@H](N)C(=O)O T8072 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.5 NC(CCS)C(=O)O T4863 [1,0,1,0,0,0|0,1,0]=3 45 B7R0.5 NCC[C@H](N)C(=O)O T7595 [1,0,1,0,0,0|1,0,0]=3 46 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [1,0,1,0,0,0|0,0,1]=3 47 B7R0.6 CC(=O)CCC(=O)O T5551 [1,0,1,0,0,0|1,0,0]=3 48 B7R0.6 CC(=O)NCC(=O)O T4822 [1,0,1,0,0,0|0,0,0]=2 49 B7R0.6 N=C(N)NCC(=O)O T4238 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.6 O=C(O)CCC(=O)O T2719 [1,0,1,0,0,0|2,0,0]=4 51 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,1,1,0,0,0|1,0,0]=3 52 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T8095 [0,1,1,0,0,0|1,0,0]=3 53 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,1,1,0,0,0|1,0,0]=3 54 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,1,1,0,0,0|1,0,0]=3 55 B9R0.7 CS(=O)CCC(N)C(=O)O T19418 [0,1,1,0,0,0|1,0,0]=3 56 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O T19264 [0,1,1,0,0,0|1,0,0]=3 57 B9R0.7 CS(=O)CC[C@H](N)C(=O)O T19397 [0,1,1,0,0,0|1,0,0]=3 58 B9R0.7 C[S+](C)CCC(N)C(=O)O T7908 [0,1,1,0,0,0|2,0,0]=4 59 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,1,1,0,0,0|0,0,0]=2 60 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,1,1,0,0,0|0,0,0]=2 61 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,1,1,0,0,0|0,0,0]=2 62 B9R0.7 NC(=O)NC[C@H](N)C(=O)O T20121 [0,1,1,0,0,0|1,0,0]=3 63 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,1,1,0,0,0|0,0,0]=2 64 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] T6871 [0,1,1,0,0,0|0,0,1]=3 65 B9R0.7 N[C@H](CCC(=O)O)C(=O)O T10935 [0,1,1,0,0,0|0,0,0]=2 66 B9R0.7 O=C(O)CCC(=O)C(=O)O T5980 [0,1,1,0,0,0|1,0,1]=4 67 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] T6820 [0,1,1,0,0,0|1,0,1]=4 68 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] T13748 [0,1,1,0,0,0|1,0,1]=4 69 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O T15691 [0,1,1,0,0,0|2,0,0]=4 70 B9R0.47 C=CCSC[C@H](N)C(=O)O T2772 [0,1,1,0,0,0|1,0,0]=3 71 B9R0.47 NCCCCC(N)C(=O)O T19290 [0,1,1,0,0,0|1,0,1]=4 72 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [0,1,1,0,0,0|1,0,1]=4 73 B9R0.47 NCCCC[C@H](N)C(=O)O T8071 [0,1,1,0,0,0|1,0,1]=4 74 B9R0.47 NCCOC[C@H](N)C(=O)O T11795 [0,1,1,0,0,0|1,0,1]=4 75 B9R0.24 COC(=O)CCC(=O)CN T5002 [0,1,1,0,0,0|2,0,0]=4 76 B9R0.24 COC(=O)CCC(=O)OC T5696 [0,1,1,0,0,0|2,0,0]=4 77 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O T0875 [0,1,1,0,0,0|1,0,0]=3 78 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O T5518 [0,1,1,0,0,0|2,0,0]=4 79 B9R0.39 CN[C@H](CC(=O)O)C(=O)O T6608 [0,1,1,0,0,0|2,0,0]=4 80 B9R0.1 COC(=O)CCCC(=O)O T4764 [0,1,1,0,0,0|1,0,0]=3 81 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [0,1,1,0,0,0|1,0,0]=3 82 B9R0.53 O=C(O)CC(=O)CC(=O)O T5614 [0,1,1,0,0,0|1,0,1]=4 83 B9R0.53 O=C(O)CC(O)CC(=O)O TQ0024 [0,1,1,0,0,0|1,0,0]=3 84 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 T4880 [0,1,0,0,0,1|0,0,1]=3 85 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,1,1,0,0|1,0,1]=4 86 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,1,1,0,0|1,0,1]=4 87 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [0,0,1,1,0,0|1,0,1]=4 88 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,0,1,0,1,0|1,0,0]=3 89 B7R0.16 NC(C(=O)O)C(=O)O T5244 [0,0,1,0,1,0|2,0,0]=4 90 B7R1.18 O=C(O)C1CCN1 T8100 [1,0,0,0,1,0|0,0,0]=2 91 B9R0.55 CC(=O)NCCCC(=O)O T4728 [0,0,1,0,0,1|1,0,0]=3 92 B9R0.55 N=C(N)NCCCC(=O)O T4927 [0,0,1,0,0,1|1,0,0]=3 93 B9R0.55 O=C(O)CCCCC(=O)O T2228 [0,0,1,0,0,1|1,0,0]=3 94 B9R0.55 O=C(O)CCCCC(=O)O T7146 [0,0,1,0,0,1|1,0,0]=3 95 B9R0.55 O=C(O)C\C=C\CC(=O)O T5246 [0,0,1,0,0,1|1,0,1]=4